Vitas-M small molecule compound
(1S,5R)-3-[(7,8-dimethoxy-2-oxo-1,2-dihydro-3H-3-benzazepin-3-yl)acetyl]-9-nitro-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL550485
SMILES COc1cc2C=CN(C(=O)Cc2cc1OC)CC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)c(cc1)[N+](=O)[O-]
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C25H26N4O7 MW 494.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N4O7/c1-35-21-8-16-5-6-26(23(30)10-17(16)9-22(21)36-2)14-24(31)27-11-15-7-18(13-27)19-3-4-20(29(33)34)25(32)28(19)12-15/h3-6,8-9,15,18H,7,10-14H2,1-2H3/t15-,18+/m0/s1InChIKey
UYTFYOLBWHUKSA-MAUKXSAKSA-NSynonyms
(1R5S)3(2(78dimethoxy2oxo1Hbenzo(d)azepin3(2H)yl)acetyl)9nitro3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5R)3((78dimethoxy2oxo12dihydro3H3benzazepin3yl)acetyl)9nitro123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
COc1cc2C=CN(C(=O)Cc2cc1OC)CC(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)c(cc1)(N+)(=O)(O)
InChI=1SC25H26N4O7c135218165626(23(30)1017(16)922(21)362)1424(31)271115718(1327)193420(29(33)34)25(32)28(19)1215h36891518H71014H212H3t1518+m0s1
ZINC000604405726
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